SCHEMBL2543595

SCHEMBL2543595

CS(=O)(=O)c1ccc(-n2nccc2-c2nn(-c3ccccc3)ccc2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.57
HTT P42858 1/20 0.51
ALOX5 P09917 2/20 0.44
PTGS2 P35354 4/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL519106 1.00 PDE10A (0.57) PDE10AHTTALOX5PTGS2GAA
SCHEMBL7911464 0.90 PDE10A (0.46) PDE10AHTTPTGS2CYP2C9CYP2C19
SCHEMBL2500849 0.90 PDE10A (0.48) PDE10APTGS2PTGS1
SCHEMBL2498161 0.90 PDE10A (0.50) PDE10AHTTPTGS2PTGS1ALDH1A1
SCHEMBL519407 0.89 PDE10A (0.63) PDE10AHTTALDH1A1CYP2C9CYP2C19
SCHEMBL2498289 0.88 PDE10A (0.64) PDE10AHTTPTGS2ALDH1A1CYP2C9
SCHEMBL519067 0.88 PDE10A (0.69) PDE10AHTTGAAALDH1A1CYP2C9
SCHEMBL2499176 0.87 PDE10A (0.52) PDE10AHTTPTGS2PTGS1ALDH1A1
SCHEMBL2476746 0.87 PDE10A (0.44) PDE10AHTTPTGS2PTGS1
SCHEMBL519371 0.86 HTT (0.70) PDE10AHTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP claimed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO claimed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A PDE10A 3/4885HTT 3824/4885ALOX5 1797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.